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Substance Name: 1H-1,4-Diazepine, hexahydro-1-(5-isoquinolinylsulfonyl)-6-(phenylmethyl)-
RN: 105628-00-0
InChIKey: FOHHXQVBNAWSRY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H23-N3-O2-S

Molecular Weight

  • 381.4977
 
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Names and Synonyms

Synonyms

  • 1-(5-Isoquinolinesulfonyl)-6-benzylhomopiperazine
  • Hexahydro-1-(5-isoquinolinylsulfonyl)-6-(phenylmethyl)-1H-1,4-diazepine

Systematic Name

  • 1H-1,4-Diazepine, hexahydro-1-(5-isoquinolinylsulfonyl)-6-(phenylmethyl)-

Registry Numbers

CAS Registry Number

  • 105628-00-0

System Generated Number

  • 0105628000

Structure Descriptors

InChI

1S/C21H23N3O2S/c25-27(26,21-8-4-7-19-15-22-10-9-20(19)21)24-12-11-23-14-18(16-24)13-17-5-2-1-3-6-17/h1-10,15,18,23H,11-14,16H2

InChIKey

FOHHXQVBNAWSRY-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CC2CNCCN(C2)S(=O)(=O)c3cccc4c3ccnc4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 197mg/kg (197mg/kg)   United States Patent Document. Vol. #4678783,